4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C16H19N5O2S — CID 56858607

IUPAC4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNc1ncnc2sc(C(=O)N(C)Cc3cc(C)no3)c(C)c12
InChIInChI=1S/C16H19N5O2S/c1-5-17-14-12-10(3)13(24-15(12)19-8-18-14)16(22)21(4)7-11-6-9(2)20-23-11/h6,8H,5,7H2,1-4H3,(H,17,18,19)
InChIKeyNAUUNSWQHFKGSY-UHFFFAOYSA-N
MW345.43 g/mol
LogP3.00
Rot. Bonds5

About 4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 56858607) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID56858607
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNc1ncnc2sc(C(=O)N(C)Cc3cc(C)no3)c(C)c12
InChIInChI=1S/C16H19N5O2S/c1-5-17-14-12-10(3)13(24-15(12)19-8-18-14)16(22)21(4)7-11-6-9(2)20-23-11/h6,8H,5,7H2,1-4H3,(H,17,18,19)
InChIKeyNAUUNSWQHFKGSY-UHFFFAOYSA-N
XLogP3.00
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 56858607) is 4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is CCNc1ncnc2sc(C(=O)N(C)Cc3cc(C)no3)c(C)c12.
What is the InChIKey of 4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NAUUNSWQHFKGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-5-17-14-12-10(3)13(24-15(12)19-8-18-14)16(22)21(4)7-11-6-9(2)20-23-11/h6,8H,5,7H2,1-4H3,(H,17,18,19).
What are the key properties of 4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 56858607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).